N-[2-(2-cyanoethoxy)-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-(2-cyanoethoxy)-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-(2-cyanoethoxy)-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-(2-cyanoethoxy)-4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-(2-cyanoethoxy)-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-(2-cyanoethoxy)-4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C26H22FN5O2S MolecularWeight: 487.548583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OCCC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OCCC#N

InChI

InChI=1S/C26H22FN5O2S/c1-17(19-9-7-18(16-29)8-10-19)30-26(35)31-20-11-12-23(24(15-20)34-14-4-13-28)32-25(33)21-5-2-3-6-22(21)27/h2-3,5-12,15,17H,4,14H2,1H3,(H,32,33)(H2,30,31,35)